Open AccessElectronic Structures of Twisted Bilayer InSe/InSe and Heterobilayer Graphene/InSe
Author(s) -
Xiaojing Yao,
Xiuyun Zhang
Publication year - 2021
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.1c01562
Subject(s) - stacking , bilayer , bilayer graphene , heterojunction , band gap , materials science , van der waals force , graphene , condensed matter physics , electronic structure , density functional theory , electronic band structure , polarization (electrochemistry) , optoelectronics , nanotechnology , chemistry , physics , molecule , computational chemistry , quantum mechanics , membrane , biochemistry , organic chemistry
Building vertical van der Waals heterojunctions between two-dimensional layered materials has become a promising strategy for modulating the properties of two-dimensional materials. Herein, we investigate the electronic structures of non-twisted/twisted bilayer InSe/InSe and heterobilayer graphene/InSe (Gr/InSe) by employing density functional theory calculations. For twisted bilayer InSe/InSes, their interlayer distances and band gaps are almost identical but a bit larger than those of the AB-stacking one due to the spontaneous polarization. Differently, the band gaps of twisted Gr/InSe are found to vary with the rotation angles. Our results provide an effective way to tune the electronic properties of two-dimensional materials.